Vitas-M small molecule compound

(12bS)-7-(3-ethoxy-4-propoxyphenyl)-2-(4-fluorobenzyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL529243
SMILES CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)Cc1ccc(cc1)F

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C33H34FN3O4 MW 555.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34FN3O4/c1-4-16-41-27-15-12-22(17-28(27)40-5-2)25-19-37-29(38)20-36(18-21-10-13-23(34)14-11-21)32(39)33(37,3)31-30(25)24-8-6-7-9-26(24)35-31/h6-15,17,25,35H,4-5,16,18-20H2,1-3H3/t25?,33-/m0/s1
InChIKey
YHYFMVMUKSHGJA-ZEWJHAJUSA-N
Synonyms
956984-21-7
(12bS)7(3ethoxy4propoxyphenyl)2(4fluorobenzyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(3ethoxy4propoxyphenyl)2(4fluorobenzyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(3ethoxy4propoxyphenyl)4((4fluorophenyl)methyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16405095
956984217
CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)Cc1ccc(cc1)F
InChI=1SC33H34FN3O4c14164127151222(1728(27)4052)25193729(38)2036(1821101323(34)141121)32(39)33(373)3130(25)24867926(24)3531h615172535H45161820H213H3t25?33m0s1
MFCD06769010
ZINC000070701386
ZINC000070701389

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Available files

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